SCHEMBL7304203

SCHEMBL7304203

CC(C)[C@H](N)C(=O)N(C(=O)CCc1ccccc1)[C@@H](CCCCN)C(=O)NC(C#N)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.45
F2 P00734 13/20 0.44
PLG P00747 6/20 0.44
PLAT P00750 6/20 0.44
PRSS1 P07477 5/20 0.44
F10 P00742 5/20 0.41
CPB2 Q96IY4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7304440 0.93 F2 (0.38) CTSCF2PLGPLATPRSS1
SCHEMBL7303940 0.87 CTSC (0.43) CTSC
SCHEMBL7301728 0.86 CTSC (0.47) CTSC
SCHEMBL7283411 0.85 CASP1 (0.47) F2PLGPLATPRSS1F10
SCHEMBL7304749 0.85 CTSC (0.41) CTSC
SCHEMBL7423470 0.81 F2 (0.41) F2PLGPLATPRSS1F10
SCHEMBL7286570 0.79 CASP1 (0.40) F2PLGPLATPRSS1F10
SCHEMBL7424734 0.75 ERAP2 (0.36) F2PLGPLATPRSS1F10
SCHEMBL7277260 0.71 CASP1 (0.41)
SCHEMBL7285059 0.71 CASP3 (0.44)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547699-A1 Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme MERCK & CO. INC. (US) 1993-06-23 EP disclosed